1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-

CAS Registry Number®

40709-69-1
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CAS Name

1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-

Molecular Formula

C21H20NO6.I

Cite this Page

1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=40709-69-1 (retrieved 2024-04-28) (CAS RN: 40709-69-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H20NO6.HI/c1-22(2)6-5-11-7-15-16(26-9-25-15)8-13(11)18(22)19-12-3-4-14-20(27-10-24-14)17(12)21(23)28-19;/h3-4,7-8,18-19H,5-6,9-10H2,1-2H3;1H/q+1;/p-1/t18-,19+;/m0./s1

InChIKey

InChIKey=HKJKCPKPSSVUHY-GRTNUQQKSA-M

SMILES

C[N+]1(C)[C@]([C@]2(C3=C(C(=O)O2)C4=C(C=C3)OCO4)[H])(C5=C(C=C6C(=C5)OCO6)CC1)[H].[I-]

Canonical SMILES

[I-].O=C1OC(C2=CC=C3OCOC3=C12)C4C5=CC=6OCOC6C=C5CC[N+]4(C)C

Other Names for this Substance

  • 1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (1:1), (5S)-
  • 1,3-Dioxolo[4,5-g]isoquinolinium, 5-(6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, [R-(R*,S*)]-
  • 1,3-Dioxolo[4,5-g]isoquinolinium, 5-[(6R)-6,8-dihydro-8-oxofuro[3,4-e]-1,3-benzodioxol-6-yl]-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, (5S)-
  • N-Methylbicuculline iodide
  • Bicuculline methiodide

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